SCHEMBL7736247

SCHEMBL7736247

C=C(C)C(=O)OCCc1cc(CN(CC)CC)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.33
CYP1A2 P05177 3/20 0.33
KCNH2 Q12809 3/20 0.33
APP P05067 2/20 0.33
NR4A2 P43354 2/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRM1 P35372 1/20 0.33
HTR2B P41595 1/20 0.33
CYP2J2 P51589 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C9 P11712 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7737123 0.90 POLB (0.35) OPRM1HIF1APOLB
SCHEMBL7736905 0.89 NPC1 (0.32)
SCHEMBL7736267 0.85 POLB (0.34) CHRM2HTR1ACHRM1ADRA2COPRM1
SCHEMBL7736862 0.84 TLR8 (0.33) TDP1POLB
SCHEMBL22572592 0.83 TSHR (0.35) TDP1
SCHEMBL7737484 0.83 POLB (0.33) TDP1POLB
SCHEMBL7030783 0.83 NPC1 (0.42) CYP1A2CYP2C9CYP2C19TDP1POLB
SCHEMBL7562153 0.82 CYP2D6 (0.37) CYP2D6CYP1A2KCNH2APPNR4A2
SCHEMBL29384523 0.82 GAA (0.31) GAA
SCHEMBL93350 0.82 GAA (0.31) GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414100-B1 COMPOUND HAVING EXTREMELY LOW VAPOR PRESSURE AND HIGH DECOMPOSITION TEMPERATURE; CROSSLINKING AGENT FOR WEATHER RESISTANT POLYMERS OTSUKA CHEMICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1055669-A1 BISBENZOTRIAZOLYLPHENOL COMPOUNDS, ULTRAVIOLET ABSORBER, ULTRAVIOLET-ABSORBING POLYMER, AND RESIN COMPOSITION AND COATING MATERIAL BOTH CONTAINING THESE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2000-11-29 EP disclosed